4-(2,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,4-dimethylphenyl)-4-oxobutanoate IUPAC Name: 4-(2,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,4-dimethylphenyl)-4-keto-butyrate Formula: C12H13O3- MolecularWeight: 205.22982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)/p-1